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Compile Data Set for Download or QSAR

Found 295 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor beta' AND taxid = 9913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226717
PNG
((+/-)-Pindobind | CHEMBL157881)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C23H34BrN3O3/c1-22(2,27-21(29)13-24)16-7-10-23(3,11-8-16)26-14-17(28)15-30-20-6-4-5-19-18(20)9-12-25-19/h4-6,9,12,16-17,25-26,28H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
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0.460n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226716
PNG
(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
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0.610n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat heart tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226717
PNG
((+/-)-Pindobind | CHEMBL157881)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C23H34BrN3O3/c1-22(2,27-21(29)13-24)16-7-10-23(3,11-8-16)26-14-17(28)15-30-20-6-4-5-19-18(20)9-12-25-19/h4-6,9,12,16-17,25-26,28H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat lung tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226716
PNG
(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat lung tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226719
PNG
(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat heart tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226719
PNG
(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
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2.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat lung tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227815
PNG
(FLAVODILOL | Flavodilol)
Show SMILES CCCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3
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4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


Article DOI: 10.1021/jm00121a034
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226718
PNG
(CHEMBL156628)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C23H34BrN3O3/c1-22(2,16-7-10-23(3,11-8-16)27-21(29)13-24)26-14-17(28)15-30-20-6-4-5-19-18(20)9-12-25-19/h4-6,9,12,16-17,25-26,28H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for beta-receptor affinity determined in rat brain membrane fraction with [3H]- dihydroalprenolol


J Med Chem 30: 788-92 (1987)


Article DOI: 10.1021/jm00388a007
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225368
PNG
(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-23(2,3)19-11-13-24(4,14-12-19)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat lung tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226718
PNG
(CHEMBL156628)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C23H34BrN3O3/c1-22(2,16-7-10-23(3,11-8-16)27-21(29)13-24)26-14-17(28)15-30-20-6-4-5-19-18(20)9-12-25-19/h4-6,9,12,16-17,25-26,28H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225368
PNG
(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-23(2,3)19-11-13-24(4,14-12-19)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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126n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat lung tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222197
PNG
(CHEBI:15944 | CHEMBL155870)
Show SMILES COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50027331
PNG
(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222194
PNG
(CHEBI:28651 | CHEMBL348881)
Show SMILES Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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391n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat heart tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222135
PNG
(CHEMBL347351)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-7-10(2-3-14(17)19)6-13-12-9-16(21)15(20)8-11(12)4-5-18-13/h2-3,7-9,13,18-21H,4-6H2,1H3
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222195
PNG
(TETRAHYDROPAPAVERINE | Tetrahydropapaverine)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007170
PNG
(Adamantane-1-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1
Show InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30)/t20-,21+,22-,26?
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1.02E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards beta adrenergic receptor using [3H]DHA as radioligand


J Med Chem 34: 2633-8 (1991)


Article DOI: 10.1021/jm00112a043
BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222193
PNG
(CHEBI:28611 | CHEMBL349584)
Show SMILES COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227820
PNG
(CHEMBL57544)
Show SMILES OC(CNC1CC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c23-16(12-22-15-6-7-15)13-25-17-8-9-18-19(24)11-20(26-21(18)10-17)14-4-2-1-3-5-14/h1-5,8-11,15-16,22-23H,6-7,12-13H2
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1.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


Article DOI: 10.1021/jm00121a034
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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1.60E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


Article DOI: 10.1021/jm00121a034
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50187377
PNG
(CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfona...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
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>2.00E+3n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to beta adrenergic receptor by radioligand binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227814
PNG
(CHEMBL291999)
Show SMILES CC(C)NCC(O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-17-8-9-20-18(10-17)19(24)11-21(26-20)15-6-4-3-5-7-15/h3-11,14,16,22-23H,12-13H2,1-2H3
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2.20E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


Article DOI: 10.1021/jm00121a034
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016912
PNG
(CHEMBL138136 | Dimethyl-[3-(naphthalen-1-yloxy)-pr...)
Show SMILES CN(C)CCCOc1cccc2ccccc12
Show InChI InChI=1S/C15H19NO/c1-16(2)11-6-12-17-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,6,11-12H2,1-2H3
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2.40E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222196
PNG
(CHEBI:46816 | CHEMBL155707)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016918
PNG
(CHEMBL139103 | Dimethyl-[2-(naphthalen-1-yloxy)-et...)
Show SMILES CN(C)CCOc1cccc2ccccc12
Show InChI InChI=1S/C14H17NO/c1-15(2)10-11-16-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3
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4.50E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016913
PNG
(Butyl-ethyl-[2-(naphthalen-1-yloxy)-ethyl]-amine |...)
Show SMILES CCCCN(CC)CCOc1cccc2ccccc12
Show InChI InChI=1S/C18H25NO/c1-3-5-13-19(4-2)14-15-20-18-12-8-10-16-9-6-7-11-17(16)18/h6-12H,3-5,13-15H2,1-2H3
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5.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016909
PNG
(CHEMBL140417 | Methyl-[2-(naphthalen-1-yloxy)-ethy...)
Show SMILES CCCN(C)CCOc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO/c1-3-11-17(2)12-13-18-16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3
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5.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227817
PNG
(CHEMBL57611)
Show SMILES OC(CNC1CCCCC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C24H27NO4/c26-19(15-25-18-9-5-2-6-10-18)16-28-20-11-12-21-22(27)14-23(29-24(21)13-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18-19,25-26H,2,5-6,9-10,15-16H2
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5.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant obtained from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


Article DOI: 10.1021/jm00121a034
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227819
PNG
(CHEMBL273690)
Show SMILES CC(C)NCC(O)COc1cccc2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-19-10-6-9-17-18(24)11-20(26-21(17)19)15-7-4-3-5-8-15/h3-11,14,16,22-23H,12-13H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


Article DOI: 10.1021/jm00121a034
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227816
PNG
(CHEMBL57659)
Show SMILES CCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C20H21NO4/c1-2-21-12-15(22)13-24-16-8-9-17-18(23)11-19(25-20(17)10-16)14-6-4-3-5-7-14/h3-11,15,21-22H,2,12-13H2,1H3
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7.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


Article DOI: 10.1021/jm00121a034
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016917
PNG
(CHEMBL169956 | Dibutyl-[3-(naphthalen-1-yloxy)-pro...)
Show SMILES CCCCN(CCCC)CCCOc1cccc2ccccc12
Show InChI InChI=1S/C21H31NO/c1-3-5-15-22(16-6-4-2)17-10-18-23-21-14-9-12-19-11-7-8-13-20(19)21/h7-9,11-14H,3-6,10,15-18H2,1-2H3
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8.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016915
PNG
(CHEMBL334465 | Dibutyl-[2-(naphthalen-1-yloxy)-eth...)
Show SMILES CCCCN(CCCC)CCOc1cccc2ccccc12
Show InChI InChI=1S/C20H29NO/c1-3-5-14-21(15-6-4-2)16-17-22-20-13-9-11-18-10-7-8-12-19(18)20/h7-13H,3-6,14-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for Beta adrenergic receptor binding


Bioorg Med Chem Lett 14: 3073-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.021
BindingDB Entry DOI: 10.7270/Q25T3JX9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50231569
PNG
(CILANSETRON | Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]- GR-65,630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranes


J Med Chem 36: 3693-9 (1994)


Article DOI: 10.1021/jm00075a026
BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]- GR-65,630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranes


J Med Chem 36: 3693-9 (1994)


Article DOI: 10.1021/jm00075a026
BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
The ability to inhibit [3H]dihydroalprenolol prenolol binding to Beta adrenergic receptor in rat whole brain


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50005834
PNG
(1-Isopropyl-3-[2-(8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)CC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C20H27N3O2/c1-13(2)22-17-6-4-5-7-18(17)23(20(22)25)19(24)12-14-10-15-8-9-16(11-14)21(15)3/h4-7,13-16H,8-12H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
The ability to inhibit [3H]dihydroalprenolol prenolol binding to Beta adrenergic receptor in rat whole brain


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212465
PNG
(RENZAPRIDE | Renzapride)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-3-5-19-4-2-9(13)8-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
The ability to inhibit [3H]dihydroalprenolol prenolol binding to Beta adrenergic receptor in rat whole brain


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50368604
PNG
(CHEMBL1907770)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@]12CN3CC1C2CC3
Show InChI InChI=1S/C15H18ClN3O2/c1-21-13-5-12(17)11(16)4-8(13)14(20)18-15-7-19-3-2-9(15)10(15)6-19/h4-5,9-10H,2-3,6-7,17H2,1H3,(H,18,20)/t9?,10?,15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
The ability to inhibit [3H]dihydroalprenolol prenolol binding to Beta adrenergic receptor in rat whole brain


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50031475
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
The ability to inhibit [3H]dihydroalprenolol prenolol binding to Beta adrenergic receptor in rat whole brain


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
The ability to inhibit [3H]dihydroalprenolol prenolol binding to Beta adrenergic receptor in rat whole brain


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
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